N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C15H16N2O4S2 — CID 103597971

IUPACN-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)C=Cc2csc(C)n2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-3-21-13-5-7-14(8-6-13)23(19,20)17-15(18)9-4-12-10-22-11(2)16-12/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyZBKWLYWISSSDSX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.37
Rot. Bonds6

About N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 103597971) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID103597971
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC NameN-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)C=Cc2csc(C)n2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-3-21-13-5-7-14(8-6-13)23(19,20)17-15(18)9-4-12-10-22-11(2)16-12/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyZBKWLYWISSSDSX-UHFFFAOYSA-N
XLogP2.37
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 51324943
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
CID 97456090
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
(E)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55701110
N-[1-(4-fluorophenoxy)propan-2-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 103598257
(E)-N-[(4-cyanophenyl)methylsulfonyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 75363403
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]prop-2-enamide
CID 55803072
4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
CID 47822854
(E)-N-(2-ethylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 115612896
(E)-N-(2-methoxyethoxy)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 79673967
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 47140362

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 103597971) is N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is CCOc1ccc(S(=O)(=O)NC(=O)C=Cc2csc(C)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is ZBKWLYWISSSDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-3-21-13-5-7-14(8-6-13)23(19,20)17-15(18)9-4-12-10-22-11(2)16-12/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 352.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 103597971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).